Ag10I2O12

Ag10I2O12 is a semimetallic silver iodate compound that is theoretically stable enough to be synthesized for advanced materials science research.

AgIO
Crystal structure of Ag10I2O12 (trigonal, R-3c (No. 167))
Ground-state structure · Materials Project
Overview

About Ag10I2O12

Ag10I2O12 is a complex silver-based inorganic compound that exhibits semimetallic electronic characteristics. Its structural configuration suggests a delicate balance of chemical bonding, positioning it as an intriguing subject for solid-state chemistry investigations.

Due to its near-hull thermodynamic stability, this material is considered a viable candidate for experimental synthesis. Researchers study this compound to better understand the interplay between silver, iodine, and oxygen in complex lattice environments, which may offer insights into novel electronic properties.

At a glance

Key Properties

Cross-validated computational properties for Ag10I2O12, aggregated across 3 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

0.009 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Ag10I2O12, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3c (No. 167)trigonal0.020.0088-4.3007.37
R-3c (No. 167)
7.37
6.68
Uses

Applications

Where Ag10I2O12 is used.

Solid-state chemistry researchElectronic materials developmentFundamental structural studies
Reference

Frequently Asked Questions

Common questions about Ag10I2O12, answered from cross-validated data.

What is Ag10I2O12?

Ag10I2O12 is a semimetallic silver iodate compound that is theoretically stable enough to be synthesized for advanced materials science research.

More questions
What is Ag10I2O12 used for?
Ag10I2O12 is used in solid-state chemistry research, electronic materials development, and fundamental structural studies.
What is the band gap of Ag10I2O12?
Ag10I2O12 has a DFT-computed band gap of 0.02 eV across 4 reported structures.
Is Ag10I2O12 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ag10I2O12 thermodynamically stable?
Ag10I2O12 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
What is the crystal structure of Ag10I2O12?
The lowest-energy reported polymorph of Ag10I2O12 is trigonal symmetry, space group R-3c (No. 167).
What is the density of Ag10I2O12?
The computed density of the ground-state structure of Ag10I2O12 is 7.37 g/cm³.
How many polymorphs of Ag10I2O12 are known?
4 structures of Ag10I2O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ag10I2O12 contain?
Ag10I2O12 contains Ag, I, and O (3 elements).
Where does the data for Ag10I2O12 come from?
Ag10I2O12 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a specialized inorganic compound, Ag10I2O12 represents an unconventional stoichiometry within the broader landscape of silver-iodine-oxygen systems. While many related materials in this chemical space are insulators, the semimetallic nature of this specific phase distinguishes it as a unique outlier that warrants further exploration in high-conductivity or specialized electronic applications.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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